Compound Detail
CHEMBL4852040
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O=C(O)c1ccc(COCc2cccc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)[nH]c(=O)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL4852040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZYLFJOBEFJFSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
4.29
ALogP
5
HBA
3
HBD
121.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 410.0 | nM | 6.39 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | 34437804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34437804 | 10.1021/acs.jmedchem.1c00441 | ADMET | 2 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | HEK293 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine